SCHEMBL27768643

SCHEMBL27768643

CCCCc1nc(-c2ccc(S(F)(F)(F)(F)F)cc2)sc1COc1ccc(C2=NOC(C=O)N2)c(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.33
PPARD Q03181 4/20 0.33
AGER Q15109 13/20 0.33
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
GCGR P47871 1/20 0.30
PTPN11 Q06124 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27790111 0.90 PPARD (0.40) FFAR1PPARDPPARGPPARA
SCHEMBL28784691 0.88 PPARD (0.42) FFAR1PPARDPPARGPPARA
SCHEMBL27790110 0.83 PPARD (0.43) FFAR1PPARDPPARGPPARA
SCHEMBL27790115 0.82 PPARD (0.39) FFAR1PPARDPPARGPPARA
SCHEMBL27790208 0.82 PPARD (0.45) FFAR1PPARDPPARGPPARA
SCHEMBL27790117 0.82 PPARD (0.40) FFAR1PPARDPPARGPPARA
SCHEMBL27768758 0.81 PPARD (0.39) FFAR1PPARDPPARGPPARA
SCHEMBL27790114 0.80 PPARD (0.41) FFAR1PPARDPPARGPPARA
SCHEMBL27790112 0.80 PPARD (0.38) FFAR1PPARDPPARGPPARA
SCHEMBL3539258 0.79 ALDH1A1 (0.36) AGERPPARGGCGR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100582104-C Oxadiazolone derivatives as PPAR delta agonists SANOFI AVENTIS DEUTSCHLAND 2010-01-20 CN disclosed